3-(2-tert-butyl-5-methyl-phenyl)sulfanyl-2-oxidanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one

Systemtic Name: 3-(2-tert-butyl-5-methyl-phenyl)sulfanyl-2-oxidanyl-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Openeye Name: 3-(2-tert-butyl-5-methyl-phenyl)sulfanyl-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one CAS Name: 3-[(2-tert-butyl-5-methylphenyl)thio]-2-hydroxy-6-[4-(3-pyridinylmethoxy)phenyl]-4-pyranone IUPAC Name: 3-(2-tert-butyl-5-methylphenyl)sulfanyl-2-hydroxy-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-4-one Traditional Name: 3-[(2-tert-butyl-5-methyl-phenyl)thio]-2-hydroxy-6-[4-(3-pyridylmethoxy)phenyl]pyran-4-one Formula: C28H27NO4S MolecularWeight: 473.58328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)SC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC4=CN=CC=C4)O

InChI

InChI=1S/C28H27NO4S/c1-18-7-12-22(28(2,3)4)25(14-18)34-26-23(30)15-24(33-27(26)31)20-8-10-21(11-9-20)32-17-19-6-5-13-29-16-19/h5-16,31H,17H2,1-4H3